1,1,2,2,3,3,4,4-octafluoro-1-iodobutane

C4HF8I — CID 2775868

IUPAC1,1,2,2,3,3,4,4-octafluoro-1-iodobutane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C4HF8I/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H
InChIKeyYOCZVAMFHOCNFS-UHFFFAOYSA-N
MW327.94 g/mol
LogP3.55
Rot. Bonds3

About 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane

1,1,2,2,3,3,4,4-octafluoro-1-iodobutane (PubChem CID 2775868) has the molecular formula C4HF8I and a molecular weight of 327.94 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-1-iodobutane
PubChem CID2775868
Molecular FormulaC4HF8I
Molecular Weight327.94 g/mol
Exact Mass327.90
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-1-iodobutane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C4HF8I/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H
InChIKeyYOCZVAMFHOCNFS-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.94
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane (CID 2775868) is 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane is FC(F)C(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane?
The InChIKey is YOCZVAMFHOCNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF8I/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane?
1,1,2,2,3,3,4,4-octafluoro-1-iodobutane has a molecular weight of 327.94 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-1-iodobutane is sourced from PubChem (CID 2775868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).